在BioDeep NovoCell知识数据库中,参考离子总共被划分为4个级别。
  • Confirmed: 这个参考离子已经通过手动审计得到确认和验证。
  • Reliable: 这个参考离子可能在特定的解剖组织环境中高度保守。
  • Unreliable: 这个参考离子具有较高的排名价值,但缺乏可重复性。
  • Unavailable: 由于排名价值低且缺乏可重复性,这个参考离子不应用于注释。

Found 13 Reference Ions Near m/z 729.5687
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000043142 Reliable 729.5654 729.565 ~ 729.5659
MzDiff: 3.8 ppm
PC(14:0/18:2(9Z,12Z)) (BioDeep_00000019199)
Formula: C40H76NO8P (729.5308)
14.83 (68%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000043218 Reliable 729.5655 729.5653 ~ 729.5659
MzDiff: 2.6 ppm
PC(14:0/18:2(9Z,12Z)) (BioDeep_00000019199)
Formula: C40H76NO8P (729.5308)
5.23 (75%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000056684 Reliable 729.5637 729.5636 ~ 729.5639
MzDiff: 0.9 ppm
PC(14:0/18:2(9Z,12Z)) (BioDeep_00000019199)
Formula: C40H76NO8P (729.5308)
7.65 (75%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000057390 Unreliable 729.5637 729.5636 ~ 729.5639
MzDiff: 0.9 ppm
PC(14:0/18:2(9Z,12Z)) (BioDeep_00000019199)
Formula: C40H76NO8P (729.5308)
1.17 (100%) Homo sapiens
[UBERON:0007779] transudate
MSI_000047477 Unreliable 729.5754 729.5754 ~ 729.5754
MzDiff: none
Not Annotated 2.27 (0%) Homo sapiens
[UBERON:0013067] colorectal mucosa
MSI_000047580 Unreliable 729.5687 729.5687 ~ 729.5687
MzDiff: none
Ubiquinol 8 (BioDeep_00000027682)
Formula: C49H76O4 (728.5743)
2.23 (100%) Homo sapiens
[UBERON:0013067] colorectal mucosa
MSI_000047659 Unreliable 729.5622 729.5622 ~ 729.5622
MzDiff: none
PC(14:0/18:2(9Z,12Z)) (BioDeep_00000019199)
Formula: C40H76NO8P (729.5308)
2.19 (100%) Homo sapiens
[UBERON:0013067] colorectal mucosa
MSI_000052628 Unreliable 729.5687 729.5687 ~ 729.5687
MzDiff: none
Ubiquinol 8 (BioDeep_00000027682)
Formula: C49H76O4 (728.5743)
1.07 (100%) Homo sapiens
[UBERON:0001052] rectum
MSI_000052630 Unreliable 729.5753 729.5753 ~ 729.5753
MzDiff: none
Not Annotated 1.02 (0%) Homo sapiens
[UBERON:0001052] rectum
MSI_000065437 Unreliable 729.5641 729.5641 ~ 729.5641
MzDiff: none
PC(14:0/18:2(9Z,12Z)) (BioDeep_00000019199)
Formula: C40H76NO8P (729.5308)
1.92 (100%) Homo sapiens
[UBERON:0001155] colon
MSI_000026126 Unreliable 729.5732 729.5732 ~ 729.5732
MzDiff: none
DG(11D3/11D5/0:0) (BioDeep_00000108725)
Formula: C45H76O7 (728.5591)
1.88 (100%) Mus musculus
[UBERON:0000913] interstitial fluid
MSI_000027181 Unreliable 729.577 729.577 ~ 729.577
MzDiff: none
SM(d18:1/18:1(9Z)) (BioDeep_00000019336)
Formula: C41H81N2O6P (728.5832)
1.77 (100%) Mus musculus
[UBERON:0002048] lung
MSI_000056337 Unavailable 729.5659 729.5659 ~ 729.5659
MzDiff: none
DG(11D3/11D5/0:0) (BioDeep_00000108725)
Formula: C45H76O7 (728.5591)
-0.67 (100%) Homo sapiens
[UBERON:0007779] transudate

Found 24 Sample Hits
Metabolite Species Sample
DG(11D3/11D5/0:0)

Formula: C45H76O7 (728.5591)
Adducts: [M+H]+ (Ppm: 10.8)
Mus musculus (Lung)
image1
Resolution: 40μm, 187x165

Description

Fig. 2 MALDI-MSI data from the same mouse lung tissue analyzed in Fig. 1. A: Optical image of the post-MSI, H&E-stained tissue section. B–D, F–G: Ion images of (B) m/z 796.6855 ([U13C-DPPC+Na]+), (C) m/z 756.5514 ([PC32:0+Na]+), (D) m/z 765.6079 ([D9-PC32:0+Na]+), (F) m/z 754.5359 ([PC32:1+Na]+), and (G) m/z 763.5923 ([D9-PC32:1+Na]+). E, H: Ratio images of (E) [D9-PC32:0+Na]+:[PC32:0+Na]+ and (H) [D9-PC32:1+Na]+:[PC32:1+Na]+. Part-per-million (ppm) mass errors are indicated in parentheses. All images were visualized using total-ion-current normalization and using hotspot removal (high quantile = 99%). DPPC = PC16:0/16:0. U13C-DPPC, universally 13C-labeled dipalmitoyl PC; PC, phosphatidylcholine; MSI, mass spectrometry imaging; H&E, hematoxylin and eosin. Fig 1-3, Fig S1-S3, S5

DG(11D3/11D5/0:0)

Formula: C45H76O7 (728.5591)
Adducts: [M+H]+ (Ppm: 9.4)
Mus musculus (Lung)
image3
Resolution: 40μm, 146x190

Description

Fig. 4 MALDI-MSI data of mouse lung tissue after administration with D9-choline and U13C-DPPC–containing Poractant alfa surfactant (labels administered 12 h prior to tissue collection). Ion images of (A) m/z 796.6856 ([U13C-DPPC+Na]+), (B) m/z 756.5154 [PC32:0+Na]+), and (C) m/z 765.6079 ([D9-PC32:0+Na]+). D: Overlay image of [U13C-PC32:0+Na]+ (red) and [D9-PC32:0+Na]+ (green). Part-per-million (ppm) mass errors are indicated in parentheses. All images were visualized using total-ion-current normalization and using hotspot removal (high quantile = 99%). DPPC = PC16:0/16:0. MSI, mass spectrometry imaging; PC, phosphatidylcholine; U13C-DPPC, universally 13C-labeled dipalmitoyl PC.

PC(14:0/18:2(9Z,12Z))

Formula: C40H76NO8P (729.5308)
Adducts: [M-H2O+NH4]+ (Ppm: 15.4)
Homo sapiens (esophagus)
LNTO22_1_3
Resolution: 75μm, 121x68

Description

PC(14:0/18:2(9Z,12Z))

Formula: C40H76NO8P (729.5308)
Adducts: [M-H2O+NH4]+ (Ppm: 15.9)
Homo sapiens (esophagus)
LNTO22_1_9
Resolution: 75μm, 89x74

Description

DG(11D3/11D5/0:0)

Formula: C45H76O7 (728.5591)
Adducts: [M+H]+ (Ppm: 2.7)
Homo sapiens (esophagus)
LNTO30_8M_1
Resolution: 17μm, 69x54

Description

Ubiquinol 8

Formula: C49H76O4 (728.5743)
Adducts: [M+H]+ (Ppm: 17.7)
Homo sapiens (colorectal adenocarcinoma)
80TopL, 50TopR, 70BottomL, 60BottomR-profile
Resolution: 17μm, 137x136

Description

The human colorectal adenocarcinoma sample was excised during a surgical operation performed at the Imperial College Healthcare NHS Trust. The sample and procedures were carried out in accordance with ethical approval (14/EE/0024).

PC(14:0/18:2(9Z,12Z))

Formula: C40H76NO8P (729.5308)
Adducts: [M-H2O+NH4]+ (Ppm: 16.2)
Homo sapiens (colorectal adenocarcinoma)
520TopL, 490TopR, 510BottomL, 500BottomR-profile
Resolution: 17μm, 147x131

Description

The human colorectal adenocarcinoma sample was excised during a surgical operation performed at the Imperial College Healthcare NHS Trust. The sample and procedures were carried out in accordance with ethical approval (14/EE/0024).

Ubiquinol 8

Formula: C49H76O4 (728.5743)
Adducts: [M+H]+ (Ppm: 17.7)
Homo sapiens (colorectal adenocarcinoma)
439TopL, 409TopR, 429BottomL, 419BottomR-profile
Resolution: 17μm, 157x136

Description

The human colorectal adenocarcinoma sample was excised during a surgical operation performed at the Imperial College Healthcare NHS Trust. The sample and procedures were carried out in accordance with ethical approval (14/EE/0024).

Ubiquinol 8

Formula: C49H76O4 (728.5743)
Adducts: [M+H]+ (Ppm: 19.2)
Homo sapiens (NA)
160TopL,130TopR,150BottomL,140BottomR-profile
Resolution: 17μm, 142x136

Description

DG(11D3/11D5/0:0)

Formula: C45H76O7 (728.5591)
Adducts: [M+H]+ (Ppm: 1.4)
Homo sapiens (esophagus)
LNTO26_7_1
Resolution: 17μm, 75x74

Description

DG(11D3/11D5/0:0)

Formula: C45H76O7 (728.5591)
Adducts: [M+H]+ (Ppm: 0.6)
Homo sapiens (esophagus)
LNTO26_7_2
Resolution: 17μm, 135x101

Description

PC(14:0/18:2(9Z,12Z))

Formula: C40H76NO8P (729.5308)
Adducts: [M-H2O+NH4]+ (Ppm: 14.8)
Homo sapiens (esophagus)
LNTO26_7_3
Resolution: 75μm, 82x88

Description

DG(11D3/11D5/0:0)

Formula: C45H76O7 (728.5591)
Adducts: [M+H]+ (Ppm: 2.7)
Homo sapiens (esophagus)
LNTO30_8M_2
Resolution: 75μm, 108x68

Description

DG(11D3/11D5/0:0)

Formula: C45H76O7 (728.5591)
Adducts: [M+H]+ (Ppm: 3.5)
Homo sapiens (esophagus)
LNTO30_8M_3
Resolution: 75μm, 69x54

Description

DG(11D3/11D5/0:0)

Formula: C45H76O7 (728.5591)
Adducts: [M+H]+ (Ppm: 1)
Homo sapiens (esophagus)
LNTO22_1_5
Resolution: 75μm, 135x94

Description

PC(14:0/18:2(9Z,12Z))

Formula: C40H76NO8P (729.5308)
Adducts: [M-H2O+NH4]+ (Ppm: 15.4)
Homo sapiens (esophagus)
LNTO22_1_7
Resolution: 75μm, 69x54

Description

DG(11D3/11D5/0:0)

Formula: C45H76O7 (728.5591)
Adducts: [M+H]+ (Ppm: 1.9)
Homo sapiens (esophagus)
LNTO22_2_1
Resolution: 75μm, 89x88

Description

PC(14:0/18:2(9Z,12Z))

Formula: C40H76NO8P (729.5308)
Adducts: [M-H2O+NH4]+ (Ppm: 15.8)
Homo sapiens (esophagus)
LNTO22_2_2
Resolution: 75μm, 135x94

Description

PC(14:0/18:2(9Z,12Z))

Formula: C40H76NO8P (729.5308)
Adducts: [M-H2O+NH4]+ (Ppm: 15.4)
Homo sapiens (esophagus)
LNTO26_16_1
Resolution: 75μm, 95x88

Description

DG(11D3/11D5/0:0)

Formula: C45H76O7 (728.5591)
Adducts: [M+H]+ (Ppm: 2.8)
Homo sapiens (esophagus)
LNTO30_7_1
Resolution: 75μm, 69x68

Description

PC(14:0/18:2(9Z,12Z))

Formula: C40H76NO8P (729.5308)
Adducts: [M-H2O+NH4]+ (Ppm: 13.2)
Homo sapiens (esophagus)
LNTO30_7_2
Resolution: 75μm, 82x68

Description

PC(14:0/18:2(9Z,12Z))

Formula: C40H76NO8P (729.5308)
Adducts: [M-H2O+NH4]+ (Ppm: 13.7)
Homo sapiens (colorectal adenocarcinoma)
200TopL, 170TopR, 190BottomL, 180BottomR-centroid
Resolution: 50μm, 132x126

Description

PC(14:0/18:2(9Z,12Z))

Formula: C40H76NO8P (729.5308)
Adducts: [M-H2O+NH4]+ (Ppm: 12.8)
Homo sapiens (colorectal adenocarcinoma)
160TopL,130TopR,150BottomL,140BottomR-centroid
Resolution: 50μm, 142x136

Description

PC(14:0/18:2(9Z,12Z))

Formula: C40H76NO8P (729.5308)
Adducts: [M-H2O+NH4]+ (Ppm: 13.5)
Homo sapiens (colorectal adenocarcinoma)
120TopL, 90TopR, 110BottomL, 100BottomR-centroid
Resolution: 50μm, 132x136

Description